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N-(2-morpholin-4-ium-4-ylethyl)-7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

Formula:C22H30N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-morpholin-4-ium-4-ylethyl)-7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine is a drug-like molecule.
MolNameN-(2-morpholin-4-ium-4-ylethyl)-7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
MolecularFormulaC22H30N6O2S
SmilesC(C[NH+]1CCOCC1)Nc1c2sc3[nH+]c(N4CCOCC4)c(CCC4)c4c3c2ncn1
InChIInChI=1S/C22H28N6O2S/c1-2-15-16(3-1)21(28-8-12-30-13-9-28)26-22-17(15)18-19(31-22)20(25-14-24-18)23-4-5-27-6-10-29-11-7-27/h14H,1-13H2,(H,23,24,25)/p+2
InChIKVOTMZYIMJUXJCN-UHFFFAOYSA-P
TotalMolweight442.586
Molweight442.586
MonoisotopicMass442.215094
CLogP-2.2771
CLogS-4.542
H Acceptors8
H Donors3
TotalSurfaceArea328.19
Relative PSA0.28916
PolarSurfaceArea106.33
Druglikeness-1.619
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms13
Sp3Atoms17
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens3
BasicNitrogens2
StereoCon

Request More Details | N-(2-morpholin-4-ium-4-ylethyl)-7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine


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